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SMILES: FC(F)c1cncc(c1)-c1ccc2ncc3[nH]nc(C4CCOCC4)c3c2c1

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50577291   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50577291
PNG
(CHEMBL4869632)
Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3[nH]nc(C4CCOCC4)c3c2c1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50577291
PNG
(CHEMBL4869632)
Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3[nH]nc(C4CCOCC4)c3c2c1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 197n/an/an/an/an/an/a


TBA

Assay Description
Displacement of 5-TAMRA-labelled Tracer A from human GST-fused/FLAG-tagged full length ATR/human N-terminal FLAG-tagged full length ATRIP expressed i...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50577291
PNG
(CHEMBL4869632)
Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3[nH]nc(C4CCOCC4)c3c2c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kbeta (unknown origin) using PI(4,5)P2 as substrate incubated for 60 mins in presence of ATP by ADP-Glo kinase assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50577291
PNG
(CHEMBL4869632)
Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3[nH]nc(C4CCOCC4)c3c2c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 522n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mTOR (unknown origin) using biotin-Ahx-PPGDYSTTPGGTLFSTTPGGTRI-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50577291
PNG
(CHEMBL4869632)
Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3[nH]nc(C4CCOCC4)c3c2c1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.44E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full-length N-terminal FLAG-tagged human ATM expressed in HEK293-6E cells using biotin-PEG2-SVEPPLSQETFSD as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair